N-[(2-chlorophenyl)methyl]-3-[(3-methylphenyl)methylamino]propanamide

C18H21ClN2O — CID 109019580

IUPACN-[(2-chlorophenyl)methyl]-3-[(3-methylphenyl)methylamino]propanamide
SMILESCc1cccc(CNCCC(=O)NCc2ccccc2Cl)c1
InChIInChI=1S/C18H21ClN2O/c1-14-5-4-6-15(11-14)12-20-10-9-18(22)21-13-16-7-2-3-8-17(16)19/h2-8,11,20H,9-10,12-13H2,1H3,(H,21,22)
InChIKeyKMSHSWSFDYIDPD-UHFFFAOYSA-N
MW316.83 g/mol
LogP3.44
Rot. Bonds7

About N-[(2-chlorophenyl)methyl]-3-[(3-methylphenyl)methylamino]propanamide

N-[(2-chlorophenyl)methyl]-3-[(3-methylphenyl)methylamino]propanamide (PubChem CID 109019580) has the molecular formula C18H21ClN2O and a molecular weight of 316.83 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-3-[(3-methylphenyl)methylamino]propanamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-3-[(3-methylphenyl)methylamino]propanamide
PubChem CID109019580
Molecular FormulaC18H21ClN2O
Molecular Weight316.83 g/mol
Exact Mass316.13
IUPAC NameN-[(2-chlorophenyl)methyl]-3-[(3-methylphenyl)methylamino]propanamide
SMILESCc1cccc(CNCCC(=O)NCc2ccccc2Cl)c1
InChIInChI=1S/C18H21ClN2O/c1-14-5-4-6-15(11-14)12-20-10-9-18(22)21-13-16-7-2-3-8-17(16)19/h2-8,11,20H,9-10,12-13H2,1H3,(H,21,22)
InChIKeyKMSHSWSFDYIDPD-UHFFFAOYSA-N
XLogP3.44
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.83
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(2-methoxyphenyl)methyl]-3-[(3-methylphenyl)methylamino]propanamide
CID 109019582
1-[(2-chlorophenyl)methyl]-3-[(3-methylphenyl)methyl]urea
CID 108897773
N-[(3-methylphenyl)methyl]-3-[(4-methylphenyl)methylamino]propanamide
CID 109019412
N-[(2-chlorophenyl)methyl]-3-[(2-methylphenyl)methylamino]propanamide
CID 109019248
N-[(2-chlorophenyl)methyl]-3-[(3,4-dimethoxyphenyl)methylamino]propanamide
CID 109021346
3-[(2-methoxyphenyl)methylamino]-N-[(3-methylphenyl)methyl]propanamide
CID 109019419
N-[2-(3-chlorophenyl)ethyl]-3-[(3-methylphenyl)methylamino]propanamide
CID 109019632
3-[(4-fluorophenyl)methylamino]-N-[(3-methylphenyl)methyl]propanamide
CID 109019416
N-(3,4-dichlorophenyl)-3-[(3-methylphenyl)methylamino]propanamide
CID 109019724
N-[(3-methylphenyl)methyl]-3-(2-methylpropylamino)propanamide
CID 109012751
N-[(2-chlorophenyl)methyl]-2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]acetamide
CID 9266447
N-(3-chlorophenyl)-3-[(3-methylphenyl)methylamino]propanamide
CID 109019663

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-3-[(3-methylphenyl)methylamino]propanamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-3-[(3-methylphenyl)methylamino]propanamide (CID 109019580) is N-[(2-chlorophenyl)methyl]-3-[(3-methylphenyl)methylamino]propanamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-3-[(3-methylphenyl)methylamino]propanamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-3-[(3-methylphenyl)methylamino]propanamide is Cc1cccc(CNCCC(=O)NCc2ccccc2Cl)c1.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-3-[(3-methylphenyl)methylamino]propanamide?
The InChIKey is KMSHSWSFDYIDPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2O/c1-14-5-4-6-15(11-14)12-20-10-9-18(22)21-13-16-7-2-3-8-17(16)19/h2-8,11,20H,9-10,12-13H2,1H3,(H,21,22).
What are the key properties of N-[(2-chlorophenyl)methyl]-3-[(3-methylphenyl)methylamino]propanamide?
N-[(2-chlorophenyl)methyl]-3-[(3-methylphenyl)methylamino]propanamide has a molecular weight of 316.83 g/mol, XLogP of 3.44, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-3-[(3-methylphenyl)methylamino]propanamide is sourced from PubChem (CID 109019580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).